CID 25738

Dimethyl adipimidate

Structural Information

Molecular Formula

C₈H₁₆N₂O₂

SMILES

COC(=N)CCCCC(=N)OC

InChI

InChI=1S/C8H16N2O2/c1-11-7(9)5-3-4-6-8(10)12-2/h9-10H,3-6H2,1-2H3

InChIKey

ZLFRJHOBQVVTOJ-UHFFFAOYSA-N

Compound name

dimethyl hexanediimidate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 71
References: 23280
Patents: 172.12119 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	173.128466	140.7
[M+Na]+	195.110408	145.6
[M-H]-	171.113914	140.7
[M+NH4]+	190.155013	160.4
[M+K]+	211.084348	145.4
[M+H-H2O]+	155.118450	134.9
[M+HCOO]-	217.119391	164.8
[M+CH3COO]-	231.135041	185.5
[M+Na-2H]-	193.095856	144.5
[M]+	172.12064142	141.1
[M]-	172.12173858	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe